⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2919013 | 0.73 | EPRS1 (0.37) | — | |
| SCHEMBL29091569 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL4171115 | 0.71 | CCNB2 (0.34) | — | |
| SCHEMBL23101917 | 0.70 | HTR2A (0.36) | — | |
| SCHEMBL27296836 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL27295502 | 0.69 | APP (0.34) | — | |
| SCHEMBL23046940 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL22166119 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL29091614 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL25376794 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090004185-A1 | AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS | WYETH (US) | 2009-01-01 | — | — | US | disclosed |
| WO-2008086462-A2 | AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS | WYETH (US) | 2008-07-17 | — | — | WO | disclosed |